2,4,6,8-tetraphenyldibenzofuran-1-ol

C36H24O2 — CID 101377817

IUPAC2,4,6,8-tetraphenyldibenzofuran-1-ol
SMILESOc1c(-c2ccccc2)cc(-c2ccccc2)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12
InChIInChI=1S/C36H24O2/c37-34-29(25-15-7-2-8-16-25)23-31(27-19-11-4-12-20-27)36-33(34)32-22-28(24-13-5-1-6-14-24)21-30(35(32)38-36)26-17-9-3-10-18-26/h1-23,37H
InChIKeyXVCBEHOPWMVFLG-UHFFFAOYSA-N
MW488.59 g/mol
LogP9.96
Rot. Bonds4

About 2,4,6,8-tetraphenyldibenzofuran-1-ol

2,4,6,8-tetraphenyldibenzofuran-1-ol (PubChem CID 101377817) has the molecular formula C36H24O2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 2,4,6,8-tetraphenyldibenzofuran-1-ol.

Molecular Properties

Compound Name2,4,6,8-tetraphenyldibenzofuran-1-ol
PubChem CID101377817
Molecular FormulaC36H24O2
Molecular Weight488.59 g/mol
Exact Mass488.18
IUPAC Name2,4,6,8-tetraphenyldibenzofuran-1-ol
SMILESOc1c(-c2ccccc2)cc(-c2ccccc2)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12
InChIInChI=1S/C36H24O2/c37-34-29(25-15-7-2-8-16-25)23-31(27-19-11-4-12-20-27)36-33(34)32-22-28(24-13-5-1-6-14-24)21-30(35(32)38-36)26-17-9-3-10-18-26/h1-23,37H
InChIKeyXVCBEHOPWMVFLG-UHFFFAOYSA-N
XLogP9.96
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 59.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,8-tetraphenyldibenzofuran-1-ol?
The IUPAC name of 2,4,6,8-tetraphenyldibenzofuran-1-ol (CID 101377817) is 2,4,6,8-tetraphenyldibenzofuran-1-ol.
What is the SMILES notation for 2,4,6,8-tetraphenyldibenzofuran-1-ol?
The canonical SMILES for 2,4,6,8-tetraphenyldibenzofuran-1-ol is Oc1c(-c2ccccc2)cc(-c2ccccc2)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12.
What is the InChIKey of 2,4,6,8-tetraphenyldibenzofuran-1-ol?
The InChIKey is XVCBEHOPWMVFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24O2/c37-34-29(25-15-7-2-8-16-25)23-31(27-19-11-4-12-20-27)36-33(34)32-22-28(24-13-5-1-6-14-24)21-30(35(32)38-36)26-17-9-3-10-18-26/h1-23,37H.
What are the key properties of 2,4,6,8-tetraphenyldibenzofuran-1-ol?
2,4,6,8-tetraphenyldibenzofuran-1-ol has a molecular weight of 488.59 g/mol, XLogP of 9.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8-tetraphenyldibenzofuran-1-ol is sourced from PubChem (CID 101377817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).